9-Octadecynoic acid, methyl ester

Compound Structure:

Synonyms:

methyl octadec-9-ynoate;1120-32-7;Methyl 9-octadecynoate;9-Octadecynoic acid methyl ester;Methyl stearolate;9-Octadecynoic acid, methyl ester;Methyl 9-octadecynoate #;SCHEMBL3966280;DTXSID70336560;octadec-9-ynoic acid methyl ester

Compound ID:

NMPC-536

PubChem ID:

534587

Molecular Formula:

C19H34O2

Canonical SMILES:

CCCCCCCCC#CCCCCCCCC(=O)OC

InChIKey:

VGXHOYHYUMFLPG-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	294.5 g/mol
XLogP3-AA	7.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	294.255880323 g/mol
Monoisotopic Mass	294.255880323 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	295
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Azanza garckeana

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